3T34
 
 | | Arabidopsis thaliana dynamin-related protein 1A (AtDRP1A) in prefission state | | Descriptor: | Dynamin-related protein 1A, LINKER, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Yan, L.M, Ma, Y.Y, Sun, Y.N, Lou, Z.Y. | | Deposit date: | 2011-07-24 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Structural basis for mechanochemical role of Arabidopsis thaliana dynamin-related protein in membrane fission
J Mol Cell Biol, 3, 2011
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3VZD
 | | Crystal structure of Sphingosine Kinase 1 with inhibitor and ADP | | Descriptor: | 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Min, X, Walker, N.P, Wang, Z. | | Deposit date: | 2012-10-11 | | Release date: | 2013-05-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
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4O1V
 | | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer | | Descriptor: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein | | Authors: | Calabrese, M.F, Watson, E.R, Schulman, B.A. | | Deposit date: | 2013-12-16 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
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2R7F
 | | Crystal structure of ribonuclease II family protein from Deinococcus radiodurans, hexagonal crystal form. NorthEast Structural Genomics target DrR63 | | Descriptor: | Ribonuclease II family protein | | Authors: | Seetharaman, J, Neely, H, Forouhar, F, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xia, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-09-07 | | Release date: | 2007-10-02 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Structure and Enzymatic Properties of a Novel RNase II Family Enzyme from Deinococcus radiodurans.
J.Mol.Biol., 415, 2012
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4FM8
 | | Crystal Structure of BACE with Compound 12a | | Descriptor: | (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Vajdos, F.F, Varghese, A.H. | | Deposit date: | 2012-06-15 | | Release date: | 2012-10-03 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
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3VZB
 | | Crystal structure of Sphingosine Kinase 1 | | Descriptor: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Min, X, Walker, N.P, Wang, Z. | | Deposit date: | 2012-10-10 | | Release date: | 2013-05-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
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1ODC
 | | STRUCTURE OF ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH N-4'-QUINOLYL-N'-9"-(1",2",3",4"-TETRAHYDROACRIDINYL)-1,8- DIAMINOOCTANE AT 2.2A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE | | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-02-15 | | Release date: | 2005-03-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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7UEK
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7W0G
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | | Descriptor: | 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2021-11-18 | | Release date: | 2022-02-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.443 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
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4HXX
 | | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | | Descriptor: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
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3VZC
 | | Crystal structure of Sphingosine Kinase 1 with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino}phenol, Sphingosine kinase 1 | | Authors: | Min, X, Walker, N.P, Wang, Z. | | Deposit date: | 2012-10-11 | | Release date: | 2013-05-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of sphingosine kinase 1 substrate recognition and catalysis.
Structure, 21, 2013
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7F7N
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5Z7A
 | | Crystal structure of NDP52 SKICH region | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium-binding and coiled-coil domain-containing protein 2, GLYCEROL, ... | | Authors: | Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q. | | Deposit date: | 2018-01-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4FHK
 | | Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | | Descriptor: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-06 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5ZBZ
 | | Crystal structure of the DEAD domain of Human eIF4A with sanguinarine | | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION | | Authors: | Ding, Y, Ding, L. | | Deposit date: | 2018-02-14 | | Release date: | 2019-02-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.30860257 Å) | | Cite: | Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling.
Cell Chem Biol, 26, 2019
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5Z7G
 | | Crystal structure of TAX1BP1 SKICH region in complex with NAP1 | | Descriptor: | 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1 | | Authors: | Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C. | | Deposit date: | 2018-01-28 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5ZNE
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7VWV
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6K7P
 | | Crystal structure of human AFF4-THD domain | | Descriptor: | AF4/FMR2 family member 4 | | Authors: | Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S. | | Deposit date: | 2019-06-08 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
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4FHJ
 | | Crystal Structure of PI3K-gamma in Complex with Imidazopyridine 2 | | Descriptor: | 3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Shaffer, P.L, Tang, J, Yakowec, P. | | Deposit date: | 2012-06-06 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3TKJ
 | | Crystal Structure of Human Asparaginase-like Protein 1 Thr168Ala | | Descriptor: | L-asparaginase, SODIUM ION, SULFATE ION, ... | | Authors: | Li, W.Z, Yogesha, S.D, Liu, J, Zhang, Y. | | Deposit date: | 2011-08-26 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Uncoupling Intramolecular Processing and Substrate Hydrolysis in the N-Terminal Nucleophile Hydrolase hASRGL1 by Circular Permutation.
Acs Chem.Biol., 7, 2012
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8IMF
 | | Human cGAS catalytic domain bound with baicalein | | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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8IME
 | | Human cGAS catalytic domain bound with baicalin | | Descriptor: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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8IMG
 | | Human cGAS catalytic domain bound with C20 | | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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1H22
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution | | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2002-07-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
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